ethenyl 3-[5-[(3-fluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-N,4-dimethylbenzenecarboximidate

C21H18FN5O2 — CID 70323331

IUPACethenyl 3-[5-[(3-fluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-N,4-dimethylbenzenecarboximidate
SMILESC=CO/C(=N\C)c1ccc(C)c(-c2cnc(NC(=O)c3ccncc3F)cn2)c1
InChIInChI=1S/C21H18FN5O2/c1-4-29-21(23-3)14-6-5-13(2)16(9-14)18-11-26-19(12-25-18)27-20(28)15-7-8-24-10-17(15)22/h4-12H,1H2,2-3H3,(H,26,27,28)/b23-21-
InChIKeyXYPFZSNMUAVDLT-LNVKXUELSA-N
MW391.41 g/mol
LogP3.77
Rot. Bonds5

About ethenyl 3-[5-[(3-fluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-N,4-dimethylbenzenecarboximidate

ethenyl 3-[5-[(3-fluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-N,4-dimethylbenzenecarboximidate (PubChem CID 70323331) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is ethenyl 3-[5-[(3-fluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-N,4-dimethylbenzenecarboximidate.

Molecular Properties

Compound Nameethenyl 3-[5-[(3-fluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-N,4-dimethylbenzenecarboximidate
PubChem CID70323331
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC Nameethenyl 3-[5-[(3-fluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-N,4-dimethylbenzenecarboximidate
SMILESC=CO/C(=N\C)c1ccc(C)c(-c2cnc(NC(=O)c3ccncc3F)cn2)c1
InChIInChI=1S/C21H18FN5O2/c1-4-29-21(23-3)14-6-5-13(2)16(9-14)18-11-26-19(12-25-18)27-20(28)15-7-8-24-10-17(15)22/h4-12H,1H2,2-3H3,(H,26,27,28)/b23-21-
InChIKeyXYPFZSNMUAVDLT-LNVKXUELSA-N
XLogP3.77
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethenyl 3-[5-[(3,5-difluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-N,4-dimethylbenzenecarboximidate
CID 70320031
3-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide
CID 58683977
ethenyl 3-[5-[(3,5-difluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-N,4-dimethylbenzenecarboximidothioate
CID 70323306
5-fluoro-4-methyl-N-[5-[2-methyl-5-(pyrimidin-2-ylamino)phenyl]pyrazin-2-yl]pyridine-3-carboxamide
CID 90224957
N-[5-(2-chloro-3,4,6-trifluoro-5-methylphenyl)pyrazin-2-yl]-3-fluoropyridine-4-carboxamide
CID 87924083
N-[5-[2-chloro-5-[(Z)-1-ethenoxyprop-1-enyl]phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide
CID 70323825
3-fluoro-N-[5-[2-methyl-5-[(1Z)-1-sulfanylbuta-1,3-dienyl]phenyl]thiophen-2-yl]pyridine-4-carboxamide
CID 143270391
carbon dioxide;N-[5-(2,5-dimethylphenyl)pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
CID 161010800
N-[5-[5-[(Z)-1-ethenoxyprop-1-enyl]-2-methylphenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide
CID 70324208
3-fluoro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-4-carboxamide
CID 115646253
3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]pyridine-4-carboxamide
CID 58487162
N-[5-(5-cyano-2-methylphenyl)pyrazin-2-yl]-3-fluoro-5-methylpyridine-4-carboxamide
CID 70320228

Frequently Asked Questions

What is the IUPAC name of ethenyl 3-[5-[(3-fluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-N,4-dimethylbenzenecarboximidate?
The IUPAC name of ethenyl 3-[5-[(3-fluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-N,4-dimethylbenzenecarboximidate (CID 70323331) is ethenyl 3-[5-[(3-fluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-N,4-dimethylbenzenecarboximidate.
What is the SMILES notation for ethenyl 3-[5-[(3-fluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-N,4-dimethylbenzenecarboximidate?
The canonical SMILES for ethenyl 3-[5-[(3-fluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-N,4-dimethylbenzenecarboximidate is C=CO/C(=N\C)c1ccc(C)c(-c2cnc(NC(=O)c3ccncc3F)cn2)c1.
What is the InChIKey of ethenyl 3-[5-[(3-fluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-N,4-dimethylbenzenecarboximidate?
The InChIKey is XYPFZSNMUAVDLT-LNVKXUELSA-N. The full InChI is InChI=1S/C21H18FN5O2/c1-4-29-21(23-3)14-6-5-13(2)16(9-14)18-11-26-19(12-25-18)27-20(28)15-7-8-24-10-17(15)22/h4-12H,1H2,2-3H3,(H,26,27,28)/b23-21-.
What are the key properties of ethenyl 3-[5-[(3-fluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-N,4-dimethylbenzenecarboximidate?
ethenyl 3-[5-[(3-fluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-N,4-dimethylbenzenecarboximidate has a molecular weight of 391.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 3-[5-[(3-fluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-N,4-dimethylbenzenecarboximidate is sourced from PubChem (CID 70323331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).